3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0280 |
| Compound Name: | 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C21 H22 N4 O6 S |
| Smiles: | CN1C(=CC(c2ccc(cc2)OC)=NS1(=O)=O)C(N1CCN(CC1)C(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3301 |
| logD: | 1.3301 |
| logSw: | -2.0657 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.454 |
| InChI Key: | QRCVCTZAHPKWIZ-UHFFFAOYSA-N |